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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=3461",
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"results": [
{
"id": "jvasp-36272",
"created_at": "2022-09-04T14:37:07.356549Z",
"updated_at": "2022-09-04T14:37:07.356578Z",
"structure_string": "Dy1 Sb1\n1.0\n3.785327 0.000000 0.000000\n0.000000 3.785327 0.000000\n0.000000 0.000000 3.785327\nDy Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Sb\n",
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"density": 8.702712602275456,
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"volume": 54.238816865938766,
"volume_molar": 16.331689491127264,
"formula_full": "Dy1 Sb1",
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{
"id": "jvasp-37369",
"created_at": "2022-09-04T14:38:01.529989Z",
"updated_at": "2022-09-04T14:38:01.530006Z",
"structure_string": "Tm2 Al1 Zn1\n1.0\n0.000006 3.531235 3.531248\n3.531238 0.000003 3.531251\n3.531236 3.531236 0.000004\nTm Al Zn\n2 1 1\ndirect\n0.499999 0.500001 0.500001 Tm\n0.999997 1.000000 0.000002 Tm\n0.250000 0.250001 0.250000 Al\n0.750002 0.749999 0.750001 Zn\n",
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"Al",
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"formula_full": "Tm2 Al1 Zn1",
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"spacegroup": 225
},
{
"id": "jvasp-54971",
"created_at": "2022-09-04T14:38:32.454700Z",
"updated_at": "2022-09-04T14:38:32.454722Z",
"structure_string": "Ag2 Hg7 P8 Br6\n1.0\n8.143216 0.007057 1.193149\n1.062277 8.357875 1.366722\n0.019183 0.004692 8.535223\nAg Hg P Br\n2 7 8 6\ndirect\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 -0.000000 Ag\n0.236957 0.733313 0.369286 Hg\n0.129820 0.272267 0.272267 Hg\n0.236957 0.369287 0.733312 Hg\n0.763043 0.266688 0.630713 Hg\n0.000000 0.000000 0.000000 Hg\n0.870181 0.727734 0.727733 Hg\n0.763044 0.630714 0.266687 Hg\n0.931584 0.436738 0.436737 P\n0.425899 0.925101 0.238594 P\n0.574102 0.074900 0.761405 P\n0.255247 0.085853 0.085853 P\n0.068416 0.563263 0.563262 P\n0.744754 0.914148 0.914147 P\n0.574102 0.761406 0.074899 P\n0.425899 0.238595 0.925100 P\n0.849815 0.954504 0.364339 Br\n0.150186 0.635661 0.045497 Br\n0.460310 0.354778 0.354777 Br\n0.539690 0.645223 0.645222 Br\n0.150185 0.045497 0.635660 Br\n0.849815 0.364340 0.954503 Br\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ag",
"Hg",
"P",
"Br"
],
"chemical_system": "Ag-Br-Hg-P",
"density": 6.712676981972326,
"density_atomic": 0.039613799873007956,
"volume": 580.6057503630632,
"volume_molar": 15.202128498920814,
"formula_full": "Ag2 Hg7 P8 Br6",
"formula_reduced": "Ag2Hg7(P4Br3)2",
"formula_anonymous": "A2B6C7D8",
"energy_above_hull": 0.5999650152173912,
"spacegroup": 12
},
{
"id": "jvasp-40957",
"created_at": "2022-09-04T14:37:43.198864Z",
"updated_at": "2022-09-04T14:37:43.198890Z",
"structure_string": "Ho4 Mg2 Ge4\n1.0\n7.211632 0.000000 0.000000\n0.000000 7.211632 -0.000000\n0.000000 -0.000000 4.214007\nHo Mg Ge\n4 2 4\ndirect\n0.177122 0.322878 0.500000 Ho\n0.322878 0.822878 0.500000 Ho\n0.677122 0.177122 0.500000 Ho\n0.822878 0.677122 0.500000 Ho\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.124754 0.624754 0.000000 Ge\n0.375245 0.124754 0.000000 Ge\n0.624754 0.875245 0.000000 Ge\n0.875245 0.375245 0.000000 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mg",
"Ge"
],
"chemical_system": "Ge-Ho-Mg",
"density": 7.568415254402314,
"density_atomic": 0.04562865140627991,
"volume": 219.16054259328143,
"volume_molar": 13.198156365347161,
"formula_full": "Ho4 Mg2 Ge4",
"formula_reduced": "Ho2MgGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5998784166666664,
"spacegroup": 127
},
{
"id": "jvasp-93664",
"created_at": "2022-09-04T14:35:49.603010Z",
"updated_at": "2022-09-04T14:35:49.603036Z",
"structure_string": "Er1 Cd1 Ni4\n1.0\n-3.497006 -3.497006 -0.000000\n-3.497006 0.000000 -3.497006\n0.000000 -3.497006 -3.497006\nEr Cd Ni\n1 1 4\ndirect\n0.750001 0.750001 0.750001 Er\n0.000000 0.000000 0.000000 Cd\n0.877070 0.374311 0.374311 Ni\n0.374311 0.877070 0.374311 Ni\n0.374311 0.374311 0.877070 Ni\n0.374311 0.374311 0.374311 Ni\n",
"nsites": 6,
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"elements": [
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"Cd",
"Ni"
],
"chemical_system": "Cd-Er-Ni",
"density": 9.987751724937661,
"density_atomic": 0.07015071831115381,
"volume": 85.53012919107934,
"volume_molar": 8.584574620161078,
"formula_full": "Er1 Cd1 Ni4",
"formula_reduced": "ErCdNi4",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-5254",
"created_at": "2022-09-04T14:37:35.022005Z",
"updated_at": "2022-09-04T14:37:35.022033Z",
"structure_string": "Bi4 S4 Br4\n1.0\n4.093339 0.000000 0.000000\n0.000000 8.267740 0.000000\n0.000000 0.000000 9.879506\nBi S Br\n4 4 4\ndirect\n0.750000 0.361016 0.632451 Bi\n0.250000 0.638984 0.367549 Bi\n0.750000 0.861016 0.867549 Bi\n0.250000 0.138984 0.132451 Bi\n0.250000 0.333028 0.447341 S\n0.750000 0.166972 0.947342 S\n0.250000 0.833028 0.052659 S\n0.750000 0.666972 0.552659 S\n0.750000 0.489331 0.173587 Br\n0.250000 0.010669 0.673588 Br\n0.750000 0.989331 0.326413 Br\n0.250000 0.510668 0.826413 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"S",
"Br"
],
"chemical_system": "Bi-Br-S",
"density": 6.375964694892175,
"density_atomic": 0.03589066396762259,
"volume": 334.3487880532204,
"volume_molar": 16.779128871599166,
"formula_full": "Bi4 S4 Br4",
"formula_reduced": "BiSBr",
"formula_anonymous": "ABC",
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"spacegroup": 62
},
{
"id": "jvasp-85124",
"created_at": "2022-09-04T14:37:16.410528Z",
"updated_at": "2022-09-04T14:37:16.410549Z",
"structure_string": "Ge4 Se4\n1.0\n3.896878 0.000000 0.000000\n0.000000 4.478697 0.000000\n0.000000 0.000000 11.151670\nGe Se\n4 4\ndirect\n0.250000 0.121278 0.125297 Ge\n0.750000 0.878723 0.874703 Ge\n0.750000 0.621278 0.374703 Ge\n0.250000 0.378722 0.625297 Ge\n0.250000 0.493059 0.853576 Se\n0.750000 0.506941 0.146424 Se\n0.750000 -0.006941 0.646424 Se\n0.250000 0.006941 0.353577 Se\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ge",
"Se"
],
"chemical_system": "Ge-Se",
"density": 5.173683883508369,
"density_atomic": 0.04110376333113182,
"volume": 194.6293806616202,
"volume_molar": 14.651069079698734,
"formula_full": "Ge4 Se4",
"formula_reduced": "GeSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5994546583333333,
"spacegroup": 62
},
{
"id": "jvasp-106772",
"created_at": "2022-09-04T14:37:03.432930Z",
"updated_at": "2022-09-04T14:37:03.432940Z",
"structure_string": "Mn1 Zn1 Cd1 Te3\n1.0\n4.388467 0.009273 -9.064689\n-0.221299 4.372102 -9.069899\n-0.008769 -0.009273 10.071105\nMn Zn Cd Te\n1 1 1 3\ndirect\n0.670536 0.670535 -0.000001 Mn\n0.330332 0.330331 -0.000000 Zn\n0.998739 0.998737 -0.000001 Cd\n0.751732 0.251731 0.500000 Te\n0.090572 0.590572 0.500000 Te\n0.408093 0.908093 0.499999 Te\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Mn",
"Zn",
"Cd",
"Te"
],
"chemical_system": "Cd-Mn-Te-Zn",
"density": 5.309396531982258,
"density_atomic": 0.031165801701741228,
"volume": 192.5187119336892,
"volume_molar": 19.3229130366428,
"formula_full": "Mn1 Zn1 Cd1 Te3",
"formula_reduced": "MnZnCdTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.5994267818965516,
"spacegroup": 44
},
{
"id": "jvasp-38233",
"created_at": "2022-09-04T14:37:51.386461Z",
"updated_at": "2022-09-04T14:37:51.386481Z",
"structure_string": "Rb3 Ir1\n1.0\n-2.859389 2.859389 4.046069\n2.859389 -2.859389 4.046069\n2.859389 2.859389 -4.046069\nRb Ir\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.499999 0.499999 0.000000 Rb\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 4,
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"elements": [
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"Ir"
],
"chemical_system": "Ir-Rb",
"density": 5.629740223095035,
"density_atomic": 0.03022875293003018,
"volume": 132.3243472616522,
"volume_molar": 19.921896129619753,
"formula_full": "Rb3 Ir1",
"formula_reduced": "Rb3Ir",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5993977749999999,
"spacegroup": 225
},
{
"id": "jvasp-100755",
"created_at": "2022-09-04T14:36:39.603048Z",
"updated_at": "2022-09-04T14:36:39.603067Z",
"structure_string": "Sb2 Pb6\n1.0\n6.969925 -0.000000 0.000000\n-3.484962 6.036132 0.000000\n-0.000000 -0.000000 5.857512\nSb Pb\n2 6\ndirect\n0.333333 0.666666 0.750000 Sb\n0.666666 0.333333 0.250000 Sb\n0.168595 0.337190 0.250000 Pb\n0.662809 0.831405 0.250000 Pb\n0.168595 0.831405 0.250000 Pb\n0.831405 0.662809 0.750000 Pb\n0.337190 0.168595 0.750000 Pb\n0.831405 0.168595 0.750000 Pb\n",
"nsites": 8,
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"density_atomic": 0.03246309828462405,
"volume": 246.4336561427087,
"volume_molar": 18.55072706616038,
"formula_full": "Sb2 Pb6",
"formula_reduced": "SbPb3",
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"spacegroup": 194
},
{
"id": "jvasp-85662",
"created_at": "2022-09-04T14:35:44.594796Z",
"updated_at": "2022-09-04T14:35:44.594810Z",
"structure_string": "Re2 F14\n1.0\n2.762214 4.277620 -0.130916\n-2.722357 4.304924 0.275508\n-0.055720 -0.083073 9.191508\nRe F\n2 14\ndirect\n0.871263 0.857321 0.753335 Re\n0.128736 0.142680 0.246665 Re\n0.575677 0.164978 0.647726 F\n0.424322 0.835023 0.352274 F\n0.166859 0.564756 0.866543 F\n0.833140 0.435245 0.133457 F\n0.721991 0.058034 0.920610 F\n0.278008 0.941967 0.079390 F\n0.149860 0.790354 0.611703 F\n0.850138 0.209647 0.388297 F\n0.633442 0.694924 0.836511 F\n0.366557 0.305078 0.163489 F\n0.799802 0.632970 0.612550 F\n0.200196 0.367031 0.387450 F\n0.055329 0.108469 0.783072 F\n0.944669 0.891532 0.216928 F\n",
"nsites": 16,
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"elements": [
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"volume": 216.27090874049782,
"volume_molar": 8.140086592052452,
"formula_full": "Re2 F14",
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{
"id": "jvasp-21882",
"created_at": "2022-09-04T14:37:32.810238Z",
"updated_at": "2022-09-04T14:37:32.810277Z",
"structure_string": "Sm4 Zn4 Rh4\n1.0\n4.095881 -0.000000 0.000000\n-0.000000 7.028843 0.000000\n0.000000 0.000000 8.177264\nSm Zn Rh\n4 4 4\ndirect\n0.250000 0.537401 0.186455 Sm\n0.750000 0.462599 0.813544 Sm\n0.250000 0.037401 0.313544 Sm\n0.750000 0.962599 0.686455 Sm\n0.250000 0.139352 0.935104 Zn\n0.750000 0.860648 0.064896 Zn\n0.250000 0.639352 0.564895 Zn\n0.750000 0.360648 0.435104 Zn\n0.750000 0.742899 0.380454 Rh\n0.250000 0.257100 0.619546 Rh\n0.750000 0.242899 0.119546 Rh\n0.250000 0.757100 0.880454 Rh\n",
"nsites": 12,
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"elements": [
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"density": 8.991190714884642,
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"volume": 235.41774323758673,
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"formula_full": "Sm4 Zn4 Rh4",
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"formula_anonymous": "ABC",
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"spacegroup": 62
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]
}